Monomers

2-Methoxyprop-2-enenitrile

Identifiers

IUPAC name
2-methoxyprop-2-enenitrile
InchI
InChI=1S/C4H5NO/c1-4(3-5)6-2/h1H2,2H3
InchI Key
PEIBTJDECFEPAF-UHFFFAOYSA-N
SMILES
COC(=C)C#N
Canonical SMILES
COC(=C)C#N
Isomeric SMILES
COC(=C)C#N
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H5NO
Heavy Atom Count
6
Molecular Weight
83.09
Exact Molecular Weight
83.0371
Valence Electrons
32
Radical Electrons
0
tPSA
33.02
MolLogP
0.6701
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.7115   -0.1917   -0.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5501   -0.2436   -1.0329 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6782    0.0854   -0.4825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4373   -0.8255    0.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1067    1.4491   -0.5980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4547    2.5512   -0.6713 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5951   -0.8964    0.6733 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6244   -0.4151   -0.7723 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7578    0.8268    0.2741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1745   -1.8420    0.2472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3874   -0.4983    0.5399 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  3  5  1  0
  5  6  3  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  4 10  1  0
  4 11  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers